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MolNFT v1 · #178222 · protein

Structure-activity relationship studies of allosteric inhibitors of EYA2 tyrosine phosphatase

7F8H: “Structure-activity relationship studies of allosteric inhibitors of EYA2 tyrosine phosphatase”. X-ray diffraction, 1 ligand (1SI). MolNFT v1 #178222 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7F8H
Type
protein
Length
778 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
O00167
Ligands
1SI

Structure

x-ray diffraction · 3 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
B—protein257—O00167
A—protein259—O00167
C—protein262—O00167

Ligands and binding sites

  • 1SI · 3-fluoranyl-~{N}-[(~{E})-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide · ligand · 3 copies · chains B, A, C

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

  • 7F8H · Structure-activity relationship studies of allosteric inhibitors of EYA2 tyrosine… · the same entry in another collection · chain B against B, TM-score 1.00
  • O00167 · AlphaFold monomer V2.0 prediction for eyes absent homolog 2 (O00167) · a predicted model of the same protein · chain B against A, TM-score 0.97

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